SCHEMBL16043293

SCHEMBL16043293

C[C@H](N)c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.60
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
GPR3 P46089 4/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
GPR139 Q6DWJ6 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30557811 1.00 PDE2A (0.60) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL17769060 1.00 PDE2A (0.60) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL28567509 0.86 PDE2A (0.49) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL30468376 0.86 PDE2A (0.49) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL21199382 0.86 PDE2A (0.49) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL20472376 0.86 PDE2A (0.49) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL29786469 0.86 PDE2A (0.49) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL12883103 0.86 PDE2A (0.63) PDE2AALOX5APFEN1GPR3GPR139
Hydrochloric Acid SCHEMBL21198950 0.85 PDE2A (0.48) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP
Hydrochloric Acid SCHEMBL21198948 0.85 PDE2A (0.48) PDE2ASLC6A2SLC6A4SLC6A3ALOX5AP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062730-B 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2023-09-29 CN disclosed
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
EP-3536324-B1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICALS CO (JP) 2021-10-06 EP disclosed
CN-112062730-A 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2020-12-11 CN disclosed
CN-107108531-B 4-oxo-3, 4-dihydro-1, 2, 3-benzotriazines as modulators of GPR139 武田药品工业株式会社 2020-10-20 CN disclosed
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2020-04-30 US disclosed
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-18 US disclosed
EP-3536324-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 Takeda Pharmaceutical Company Limited (JP) 2019-09-11 EP disclosed
EP-3221298-B1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE DERIVATIVES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICALS CO (JP) 2019-04-03 EP disclosed
US-20190070187-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2019-03-07 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
WO-2016081736-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-26 WO disclosed
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 TAKEDA CALIFORNIA, INC. 2016-05-26 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PDE2A 3092/4885SLC6A2 3894/4885SLC6A4 4306/4885
US-20190070187-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885SLC6A2 2003/4885SLC6A4 1579/4885
US-20200129518-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885SLC6A2 2003/4885SLC6A4 1579/4885
US-20160145218-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINE MODULATORS OF GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885SLC6A2 2003/4885SLC6A4 1579/4885
US-10561662-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885SLC6A2 2003/4885SLC6A4 1579/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PDE2A 3092/4885SLC6A2 3894/4885SLC6A4 4306/4885
US-11173161-B2 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139 GPR139, GPR3, GPR84 PDE2A 448/4885SLC6A2 2003/4885SLC6A4 1579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.